Correction to “Reaction Pathways for Water Oxidation to Molecular

Addition/Correction pubs.acs.org/JPCC

Correction to “Reaction Pathways for Water Oxidation to Molecular Oxygen Mediated by Model Cobalt Oxide Dimer and Cubane Catalysts” Amendra Fernando and Christine M. Aikens* J. Phys. Chem. C 2015, 119 (20), 11072−11085. DOI: 10.1021/jp511805x

T

he following errata were found in the published article. For example, in pathway 1 shown in Figure 2, the water addition reaction at structure D16 to yield D17 should have a free energy of −1.03 eV. The table below shows the values that should be corrected. In addition, the corresponding values in the text on pages 11075, 11076, 11077, 11079, and 11082 should be changed accordingly. However, these errata do not affect the overall conclusions of the original article. With these corrections, all pathways now have the correct overall energy for each catalytic cycle.

intermediate reaction step D16 to D17 D23 to D3 D25 to D26 D26 to D27 D27 to D1 C15 to C1 C24 to C25 D29 to D30

pathway affected (pathway (pathway (pathway (pathway (pathway (pathway (pathway (pathway

1, Figure 2) 2, Figure 3) 3, Figure 4) 3, Figure 4) 3, Figure 4) 4, Figure 6) 7, Figure 9) S1, Figure S1)

previous reaction free energy value (eV)

corrected reaction free energy value (eV)

−1.03 −0.56 −0.12 0.44 0.29 −0.11 −0.84 −0.01

−0.41 −0.20 −0.76 0.99 0.19 0.11 −0.52 0.19

Published: February 29, 2016 © 2016 American Chemical Society

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DOI: 10.1021/acs.jpcc.6b01606 J. Phys. Chem. C 2016, 120, 5271−5271